[ccp4bb] how to insert a ligand into a possible binding pocket of one protein strucure model?

Hi ALL, By superposing my protein structure model with 3 homologs I found a potential ligand binding pocket of the protein, because the other 3 proteins have ligands binding, now I want to put one similiar ligand into my protein model. How can I do this? Any help will be appreciated. Thank yo

Re: [ccp4bb] Molprobity "Feature" in ccp4i2 refmac

Hi Nick, thanks for your report; I'm on it. Cheers, Jon On Fri, 29 Mar 2019 at 12:18, Nicholas Keep wrote: > I have found a 'feature' in molprobity. if there are two atoms on top > of each other (not hard to do by mistake when adding waters in coot), > then molprobity does not work or at leas

[ccp4bb] PhD studentship at Umeå University working on Type 4 Secretion Systems

Dear colleagues, I have a fully funded PhD studentship available in my lab at Umeå University, Sweden. The overall aim of the project is to obtain structural and functional data of Gram-positive Type 4 Secretion Systems (T4SS) as well as more divergent Gram-negative T4SSs, in order to understan

[ccp4bb] Call reminder: XChem fragment screening, NEXT WEDNESDAY

Dear aspiring drug discoverers A reminder that the deadline for the next round of proposals for XChem fragment screening is *next Wednesday 5pm*, as part of Diamond's general Call for Proposals. Full details

[ccp4bb] Molprobity "Feature" in ccp4i2 refmac

I have found a 'feature' in molprobity.  if there are two atoms on top of each other (not hard to do by mistake when adding waters in coot), then molprobity does not work or at least does not give the outputs required to then give the coot molprobity checklist file our of the ccp4i2 refmac inte

[ccp4bb] CCP-EM Spring Symposium - *Final Day* for Registration (Friday 29th March)

Dear all, Just a quick final reminder that registration for the Spring Symposium closes today Friday (29th March). Full details and talk titles can be found here: http://www.cvent.com/d/xbqsqk The Spring Symposium aims to provide a forum to highlight state of the art developments in computati

[ccp4bb] Postdoctoral fellowships at Stockholm University

The Högbom lab at the Department of Biochemistry and Biophysics, Stockholm University has openings for two postdoctoral researchers in the area of radical- or metalloprotein structure and function. We study a number of proteins that utilize metal or radical cofactors to perform challenging chemical